7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroacridine

C19H24BNO2 — CID 176514531

IUPAC7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroacridine
SMILESCC1(C)OB(c2ccc3nc4c(cc3c2)CCCC4)OC1(C)C
InChIInChI=1S/C19H24BNO2/c1-18(2)19(3,4)23-20(22-18)15-9-10-17-14(12-15)11-13-7-5-6-8-16(13)21-17/h9-12H,5-8H2,1-4H3
InChIKeyWYFPHXOJFLYZEZ-UHFFFAOYSA-N
MW309.22 g/mol
LogP3.41
Rot. Bonds1

About 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroacridine

7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroacridine (PubChem CID 176514531) has the molecular formula C19H24BNO2 and a molecular weight of 309.22 g/mol. Its IUPAC name is 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroacridine.

Molecular Properties

Compound Name7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroacridine
PubChem CID176514531
Molecular FormulaC19H24BNO2
Molecular Weight309.22 g/mol
Exact Mass309.19
IUPAC Name7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroacridine
SMILESCC1(C)OB(c2ccc3nc4c(cc3c2)CCCC4)OC1(C)C
InChIInChI=1S/C19H24BNO2/c1-18(2)19(3,4)23-20(22-18)15-9-10-17-14(12-15)11-13-7-5-6-8-16(13)21-17/h9-12H,5-8H2,1-4H3
InChIKeyWYFPHXOJFLYZEZ-UHFFFAOYSA-N
XLogP3.41
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroacridine?
The IUPAC name of 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroacridine (CID 176514531) is 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroacridine.
What is the SMILES notation for 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroacridine?
The canonical SMILES for 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroacridine is CC1(C)OB(c2ccc3nc4c(cc3c2)CCCC4)OC1(C)C.
What is the InChIKey of 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroacridine?
The InChIKey is WYFPHXOJFLYZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BNO2/c1-18(2)19(3,4)23-20(22-18)15-9-10-17-14(12-15)11-13-7-5-6-8-16(13)21-17/h9-12H,5-8H2,1-4H3.
What are the key properties of 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroacridine?
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroacridine has a molecular weight of 309.22 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroacridine is sourced from PubChem (CID 176514531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).